SCHEMBL10246587

SCHEMBL10246587

COC(=O)c1ccc(N)c(C(=O)Nc2ccc(C#N)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.53
CISD2 Q8N5K1 1/20 0.52
HDAC1 Q13547 3/20 0.51
NAMPT P43490 1/20 0.48
TMPRSS4 Q9NRS4 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 2/20 0.47
ATM Q13315 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
BRAF P15056 2/20 0.46
RAF1 P04049 1/20 0.46
ARAF P10398 1/20 0.46
MLYCD O95822 1/20 0.46
MEN1 O00255 5/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10246590 0.83 ALDH1A1 (0.51) PLAUNAMPTALDH1A1GAAGLA
SCHEMBL31311058 0.82 TMPRSS4 (0.53) PLAUCISD2NAMPTTMPRSS4ALDH1A1
SCHEMBL2833360 0.81 NPC1 (0.65) PLAUCISD2NAMPTALDH1A1HPGD
SCHEMBL31311144 0.81 NPC1 (0.65) PLAUCISD2NAMPTALDH1A1HPGD
SCHEMBL7409760 0.80 HDAC1 (0.67) PLAUHDAC1ALDH1A1HPGDGAA
SCHEMBL25255688 0.77 GAA (0.52) PLAUCISD2HDAC1NAMPTALDH1A1
SCHEMBL5534739 0.76 TSHR (0.53) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL1662854 0.76 RXFP1 (0.54) PLAUCISD2TMPRSS4KDM4EMAPT
SCHEMBL24110764 0.76 HTT (0.58) PLAUTMPRSS4ALDH1A1GAAKDM4E
SCHEMBL12700214 0.76 KMT2A (0.52) PLAUCISD2NAMPTTMPRSS4ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 PLAU 4200/4885CISD2 2211/4885HDAC1 1161/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.